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Chemical ID: 7143037

Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(c(c3)OC)OCc4ccc(cc4)Cl)S2)C(=O)O

Chemical ID:

7143037

Name [?]:

3-[5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid

SMILES [?]:

Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(c(c3)OC)OCc4ccc(cc4)Cl)S2)C(=O)O

InChi [?]:

InChI=1/C26H21ClN2O5S/c1-15-3-7-18(25(31)32)13-20(15)28-26-29-24(30)23(35-26)12-17-6-10-21(22(11-17)33-2)34-14-16-4-8-19(27)9-5-16/h3-13H,14H2,1-2H3,(H,31,32)(H,28,29,30)

InChi Info:

AuxInfo=1/1/N:1,22,3,26,30,16,4,27,29,17,20,14,6,24,2,25,15,5,28,7,18,19,13,11,33,9,31,8,10,12,34,35,21,23,32/E:(4,5)(8,9)(31,32)/rA:35nCCCCCCCNCNCOCCCCCCCCOCOCCCCCCCClSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s24;s25;d26;s27;d28;d25s29;s28;s9s13;s5;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₁ClN₂O₅S
All Atoms:	56
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	12.0575
Area:	751.95
Solvation:	-6.7413
Coulombic:	-71.9593

Bond Count [?]

All:	38
Single:	25
Double:	13
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.09
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value